input word = C00063691

Metabolite InformationStructural formula
Name Chunganenol
Formula C85H64O18
Mw 1372.40926524
CAS RN 1187963-12-7
C_ID C00063691
InChIKey FTFAHGCTWYRGNY-LGGXSKLGSA-N
InChICode InChI=1S/C85H64O18/c86-47-14-1-39(2-15-47)3-26-57-75-68(102-83(42-8-20-50(89)21-9-42)72(75)45-27-53(92)31-54(93)28-45)38-69-76(57)73(84(103-69)43-10-22-51(90)23-11-43)46-29-62(96)60(63(97)30-46)36-58-59(32-55(94)34-64(58)98)77-71(41-6-18-49(88)19-7-41)81-70(40-4-16-48(87)17-5-40)74-61(33-56(95)35-65(74)99)78-80-67(37-66(100)79(77)82(80)81)101-85(78)44-12-24-52(91)25-13-44/h1-35,37-38,70-73,77-78,81,83-100H,36H2/b26-3+/t70-,71-,72-,73-,77-,78-,81+,83+,84+,85+/m0/s1
SMILES Oc1ccc(C=Cc2c3c(cc4c2C(c2cc(O)c(Cc5c(O)cc(O)cc5C5c6c(O)cc7c8c6C(C(c6ccc(O)cc6)c6c(O)cc(O)cc6C8C(c6ccc(O)cc6)O7)C5c5ccc(O)cc5)c(O)c2)C(c2ccc(O)cc2)O4)OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis berlandieri Ref.
PlantaeVitaceaeVitis betulifolia Ref.
PlantaeVitaceaeVitis chunganensis Ref.
PlantaeVitaceaeVitis coignetiae Ref.
PlantaeVitaceaeVitis davidii Ref.
PlantaeVitaceaeVitis labrusca Ref.
PlantaeVitaceaeVitis pentagona Ref.
PlantaeVitaceaeVitis riparia Ref.
PlantaeVitaceaeVitis thunbergii Ref.
PlantaeVitaceaeVitis vinifera Ref.
--Muscadinia rotundifolia Ref.
zoom in